3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide

C15H19F3N2O2 — CID 119794829

IUPAC3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(N)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9-6-12(4-5-13(9)22-8-15(16,17)18)20-14(21)10-2-3-11(19)7-10/h4-6,10-11H,2-3,7-8,19H2,1H3,(H,20,21)
InChIKeyJKFYOGAIBJIUJB-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.00
Rot. Bonds4

About 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 119794829) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID119794829
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(N)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9-6-12(4-5-13(9)22-8-15(16,17)18)20-14(21)10-2-3-11(19)7-10/h4-6,10-11H,2-3,7-8,19H2,1H3,(H,20,21)
InChIKeyJKFYOGAIBJIUJB-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119702540
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119785468
3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785467
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide (CID 119794829) is 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2CCC(N)C2)ccc1OCC(F)(F)F.
What is the InChIKey of 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is JKFYOGAIBJIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9-6-12(4-5-13(9)22-8-15(16,17)18)20-14(21)10-2-3-11(19)7-10/h4-6,10-11H,2-3,7-8,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119794829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).